1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C19H25F3N2O3 — CID 55780067

IUPAC1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)17(26)24-9-5-8-15(24)16(25)23-11-13-6-4-7-14(10-13)27-12-19(20,21)22/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3,(H,23,25)
InChIKeyVTXZTTLERPLQMD-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55780067) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55780067
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O3/c1-18(2,3)17(26)24-9-5-8-15(24)16(25)23-11-13-6-4-7-14(10-13)27-12-19(20,21)22/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3,(H,23,25)
InChIKeyVTXZTTLERPLQMD-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55679020
tert-butyl (2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 70053161
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
tert-butyl 2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123227667
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
(2R)-1-[(2R)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 51049779
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907
(2S)-1-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985870

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 55780067) is 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VTXZTTLERPLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-18(2,3)17(26)24-9-5-8-15(24)16(25)23-11-13-6-4-7-14(10-13)27-12-19(20,21)22/h4,6-7,10,15H,5,8-9,11-12H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55780067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).